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1-butyl-3-(2-hydroxy-3-(o-tolyloxy)propyl)-1H-benzo[d]imidazol-2(3H)-iminium chloride
SpectraBase Compound ID EbfUGKmf6GB
InChI InChI=1S/C21H28N3O2.ClH/c1-3-4-13-23-18-10-6-7-11-19(18)24(21(23)22)14-17(25)15-26-20-12-8-5-9-16(20)2;/h5-12,17,25H,3-4,13-15,22H2,1-2H3;1H/q+1;/p-1
InChIKey AGHBWYLFNISXAO-UHFFFAOYSA-M
Mol Weight 389.93 g/mol
Molecular Formula C21H28ClN3O2
Exact Mass 389.187005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LTOThmBG6Qh
Name 1-butyl-3-(2-hydroxy-3-(o-tolyloxy)propyl)-1H-benzo[d]imidazol-2(3H)-iminium chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H28N3O2.ClH/c1-3-4-13-23-18-10-6-7-11-19(18)24(21(23)22)14-17(25)15-26-20-12-8-5-9-16(20)2;/h5-12,17,25H,3-4,13-15,22H2,1-2H3;1H/q+1;/p-1
InChIKey AGHBWYLFNISXAO-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11789
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D63980; Labnumber: RRYK-616; SBI_ID: SBI-011792
Temperature 318 °C